ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-ethoxycarbonyloxysulfanyl-propanoate

Systemtic Name: ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-ethoxycarbonyloxysulfanyl-propanoate Openeye Name: ethyl 2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-3-ethoxycarbonyloxysulfanyl-propanoate CAS Name: 2-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]-3-(ethoxycarbonyloxythio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(2,2-dimethyl-3-nitrooxypropanoyl)amino]-3-ethoxycarbonyloxysulfanylpropanoate Traditional Name: 3-(carbethoxyoxythio)-2-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]propionic acid ethyl ester Formula: C13H22N2O9S MolecularWeight: 382.38678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSOC(=O)OCC)NC(=O)C(C)(C)CO[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CSOC(=O)OCC)NC(=O)C(C)(C)CO[N+](=O)[O-]

InChI

InChI=1S/C13H22N2O9S/c1-5-21-10(16)9(7-25-24-12(18)22-6-2)14-11(17)13(3,4)8-23-15(19)20/h9H,5-8H2,1-4H3,(H,14,17)